CID 57412194

C9H15BP — CID 57412194

IUPAC—
SMILESCP(C)C1(C)C=CCC=C1.[B]
InChIInChI=1S/C9H15P.B/c1-9(10(2)3)7-5-4-6-8-9;/h5-8H,4H2,1-3H3;
InChIKeyWJNBNLXDFZYDTQ-UHFFFAOYSA-N
MW165.00 g/mol
LogP2.62
Rot. Bonds1

About CID 57412194

CID 57412194 (PubChem CID 57412194) has the molecular formula C9H15BP and a molecular weight of 165.00 g/mol.

Molecular Properties

Compound NameCID 57412194
PubChem CID57412194
Molecular FormulaC9H15BP
Molecular Weight165.00 g/mol
Exact Mass165.10
IUPAC Name—
SMILESCP(C)C1(C)C=CCC=C1.[B]
InChIInChI=1S/C9H15P.B/c1-9(10(2)3)7-5-4-6-8-9;/h5-8H,4H2,1-3H3;
InChIKeyWJNBNLXDFZYDTQ-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57412194?
The IUPAC name of CID 57412194 (CID 57412194) is not available.
What is the SMILES notation for CID 57412194?
The canonical SMILES for CID 57412194 is CP(C)C1(C)C=CCC=C1.[B].
What is the InChIKey of CID 57412194?
The InChIKey is WJNBNLXDFZYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P.B/c1-9(10(2)3)7-5-4-6-8-9;/h5-8H,4H2,1-3H3;.
What are the key properties of CID 57412194?
CID 57412194 has a molecular weight of 165.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57412194 is sourced from PubChem (CID 57412194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).